(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C14H17FN2OS — CID 97020107

IUPAC(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSC[C@@](C)(O)CNc1ccc2ccc(F)cc2n1
InChIInChI=1S/C14H17FN2OS/c1-14(18,9-19-2)8-16-13-6-4-10-3-5-11(15)7-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyHBWTUNPWFYADTC-AWEZNQCLSA-N
MW280.37 g/mol
LogP2.90
Rot. Bonds5

About (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 97020107) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID97020107
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSC[C@@](C)(O)CNc1ccc2ccc(F)cc2n1
InChIInChI=1S/C14H17FN2OS/c1-14(18,9-19-2)8-16-13-6-4-10-3-5-11(15)7-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKeyHBWTUNPWFYADTC-AWEZNQCLSA-N
XLogP2.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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Related Compounds

1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71862378
N-ethyl-7-fluoroquinolin-2-amine
CID 112695185
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248871
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246053
2-methyl-1-[(5-methyl-2-pyridinyl)amino]-3-methylsulfanylpropan-2-ol
CID 103731198
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
1-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248979
2-bromo-4-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 103835590
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
2-methyl-1-methylsulfanyl-3-(pyridin-4-ylamino)propan-2-ol
CID 103820180
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
CID 106248046

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 97020107) is (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSC[C@@](C)(O)CNc1ccc2ccc(F)cc2n1.
What is the InChIKey of (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is HBWTUNPWFYADTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-14(18,9-19-2)8-16-13-6-4-10-3-5-11(15)7-12(10)17-13/h3-7,18H,8-9H2,1-2H3,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
(2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(7-fluoroquinolin-2-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 97020107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).